ethyl (3E)-3-methoxyimino-4,4-dimethylpentanoate

C10H19NO3 — CID 164673152

IUPACethyl (3E)-3-methoxyimino-4,4-dimethylpentanoate
SMILESCCOC(=O)C/C(=N\OC)C(C)(C)C
InChIInChI=1S/C10H19NO3/c1-6-14-9(12)7-8(11-13-5)10(2,3)4/h6-7H2,1-5H3/b11-8+
InChIKeyHXDJMHIFAUBIHH-DHZHZOJOSA-N
MW201.27 g/mol
LogP1.99
Rot. Bonds4

About ethyl (3E)-3-methoxyimino-4,4-dimethylpentanoate

ethyl (3E)-3-methoxyimino-4,4-dimethylpentanoate (PubChem CID 164673152) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl (3E)-3-methoxyimino-4,4-dimethylpentanoate.

Molecular Properties

Compound Nameethyl (3E)-3-methoxyimino-4,4-dimethylpentanoate
PubChem CID164673152
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl (3E)-3-methoxyimino-4,4-dimethylpentanoate
SMILESCCOC(=O)C/C(=N\OC)C(C)(C)C
InChIInChI=1S/C10H19NO3/c1-6-14-9(12)7-8(11-13-5)10(2,3)4/h6-7H2,1-5H3/b11-8+
InChIKeyHXDJMHIFAUBIHH-DHZHZOJOSA-N
XLogP1.99
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (3E)-5-acetyloxy-3-methoxyimino-4,4-dimethylpentanoate
CID 164676556
[(3E)-3-methoxyimino-2,2-dimethylbutyl] acetate
CID 164677609
3-Tert-butyl-4,5-dihydro-1,2-oxazol-5-one
CID 4669289
Ethyl 3-imino-2,4,4-trimethylpentanoate
CID 57046938
Ethyl 2-imino-4,4-dimethylpentanoate
CID 57072474
Methyl 3-imino-2,4,4-trimethylpentanoate
CID 57231374
Propan-2-yl 2-hydroxyimino-5,5-dimethylhexanoate
CID 73432737
Ethyl 2-hydroxyimino-5,5-dimethylhexanoate
CID 73432782
Methyl 3-methoxyimino-4,4-dimethylpentanoate
CID 87786703
Methyl 3-methoxyimino-4-methylpentanoate
CID 87787097
ethyl (2Z)-2-hydroxyimino-5,5-dimethylhexanoate
CID 88176812
propan-2-yl (2Z)-2-hydroxyimino-5,5-dimethylhexanoate
CID 88179011

Frequently Asked Questions

What is the IUPAC name of ethyl (3E)-3-methoxyimino-4,4-dimethylpentanoate?
The IUPAC name of ethyl (3E)-3-methoxyimino-4,4-dimethylpentanoate (CID 164673152) is ethyl (3E)-3-methoxyimino-4,4-dimethylpentanoate.
What is the SMILES notation for ethyl (3E)-3-methoxyimino-4,4-dimethylpentanoate?
The canonical SMILES for ethyl (3E)-3-methoxyimino-4,4-dimethylpentanoate is CCOC(=O)C/C(=N\OC)C(C)(C)C.
What is the InChIKey of ethyl (3E)-3-methoxyimino-4,4-dimethylpentanoate?
The InChIKey is HXDJMHIFAUBIHH-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6-14-9(12)7-8(11-13-5)10(2,3)4/h6-7H2,1-5H3/b11-8+.
What are the key properties of ethyl (3E)-3-methoxyimino-4,4-dimethylpentanoate?
ethyl (3E)-3-methoxyimino-4,4-dimethylpentanoate has a molecular weight of 201.27 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3E)-3-methoxyimino-4,4-dimethylpentanoate is sourced from PubChem (CID 164673152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).